5,6,7-trimethoxy-4-methylquinoline

C13H15NO3 — CID 163584599

IUPAC5,6,7-trimethoxy-4-methylquinoline
SMILESCOc1cc2nccc(C)c2c(OC)c1OC
InChIInChI=1S/C13H15NO3/c1-8-5-6-14-9-7-10(15-2)12(16-3)13(17-4)11(8)9/h5-7H,1-4H3
InChIKeyGKLILHQYHNASKL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.57
Rot. Bonds3

About 5,6,7-trimethoxy-4-methylquinoline

5,6,7-trimethoxy-4-methylquinoline (PubChem CID 163584599) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-methylquinoline.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-methylquinoline
PubChem CID163584599
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5,6,7-trimethoxy-4-methylquinoline
SMILESCOc1cc2nccc(C)c2c(OC)c1OC
InChIInChI=1S/C13H15NO3/c1-8-5-6-14-9-7-10(15-2)12(16-3)13(17-4)11(8)9/h5-7H,1-4H3
InChIKeyGKLILHQYHNASKL-UHFFFAOYSA-N
XLogP2.57
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
4-tert-butyl-5,6,7-trimethoxyquinazoline
CID 170974305
4-methoxyquinoline;4-methylquinoline
CID 71009048
6-methoxy-4-methylquinoline-5-carbonitrile
CID 82573234
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
6,7,8-trimethoxy-1-[3-(6,7,8-trimethoxyisoquinolin-1-yl)propyl]isoquinoline;hydrochloride
CID 140534708
5-methoxy-1,7-phenanthroline
CID 67576947
8-methoxy-4,6-dimethylquinoline
CID 58053088
1-[(E)-2-(2-chlorophenyl)ethenyl]-6,7,8-trimethoxyisoquinoline
CID 67599248
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
CID 144937171
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-methylquinoline?
The IUPAC name of 5,6,7-trimethoxy-4-methylquinoline (CID 163584599) is 5,6,7-trimethoxy-4-methylquinoline.
What is the SMILES notation for 5,6,7-trimethoxy-4-methylquinoline?
The canonical SMILES for 5,6,7-trimethoxy-4-methylquinoline is COc1cc2nccc(C)c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-4-methylquinoline?
The InChIKey is GKLILHQYHNASKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-6-14-9-7-10(15-2)12(16-3)13(17-4)11(8)9/h5-7H,1-4H3.
What are the key properties of 5,6,7-trimethoxy-4-methylquinoline?
5,6,7-trimethoxy-4-methylquinoline has a molecular weight of 233.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-methylquinoline is sourced from PubChem (CID 163584599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).